ethane;(7S)-7-methyl-5,6,7,8-tetrahydroquinoline

C12H19N — CID 143143665

IUPACethane;(7S)-7-methyl-5,6,7,8-tetrahydroquinoline
SMILESCC.C[C@H]1CCc2cccnc2C1
InChIInChI=1S/C10H13N.C2H6/c1-8-4-5-9-3-2-6-11-10(9)7-8;1-2/h2-3,6,8H,4-5,7H2,1H3;1-2H3/t8-;/m0./s1
InChIKeyOHSCRKDOQDBVKP-QRPNPIFTSA-N
MW177.29 g/mol
LogP3.23
Rot. Bonds

About ethane;(7S)-7-methyl-5,6,7,8-tetrahydroquinoline

ethane;(7S)-7-methyl-5,6,7,8-tetrahydroquinoline (PubChem CID 143143665) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is ethane;(7S)-7-methyl-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Nameethane;(7S)-7-methyl-5,6,7,8-tetrahydroquinoline
PubChem CID143143665
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Nameethane;(7S)-7-methyl-5,6,7,8-tetrahydroquinoline
SMILESCC.C[C@H]1CCc2cccnc2C1
InChIInChI=1S/C10H13N.C2H6/c1-8-4-5-9-3-2-6-11-10(9)7-8;1-2/h2-3,6,8H,4-5,7H2,1H3;1-2H3/t8-;/m0./s1
InChIKeyOHSCRKDOQDBVKP-QRPNPIFTSA-N
XLogP3.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;(7S)-7-methyl-5,6,7,8-tetrahydroquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;(7S)-7-methyl-5,6,7,8-tetrahydroquinoline?
The IUPAC name of ethane;(7S)-7-methyl-5,6,7,8-tetrahydroquinoline (CID 143143665) is ethane;(7S)-7-methyl-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for ethane;(7S)-7-methyl-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for ethane;(7S)-7-methyl-5,6,7,8-tetrahydroquinoline is CC.C[C@H]1CCc2cccnc2C1.
What is the InChIKey of ethane;(7S)-7-methyl-5,6,7,8-tetrahydroquinoline?
The InChIKey is OHSCRKDOQDBVKP-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H13N.C2H6/c1-8-4-5-9-3-2-6-11-10(9)7-8;1-2/h2-3,6,8H,4-5,7H2,1H3;1-2H3/t8-;/m0./s1.
What are the key properties of ethane;(7S)-7-methyl-5,6,7,8-tetrahydroquinoline?
ethane;(7S)-7-methyl-5,6,7,8-tetrahydroquinoline has a molecular weight of 177.29 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(7S)-7-methyl-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 143143665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).